SCHEMBL6091833

SCHEMBL6091833

CCCC(Oc1c(Cl)cccc1COc1cccc(OCc2ccc3ccccc3n2)c1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 13/20 0.54
GPBAR1 Q8TDU6 7/20 0.54
CYSLTR2 Q9NS75 10/20 0.54
MAPK1 P28482 2/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
CYP2C19 P33261 1/20 0.50
HIF1A Q16665 1/20 0.50
MEN1 O00255 1/20 0.50
GMNN O75496 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
ALOX5 P09917 1/20 0.50
HPGD P15428 1/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6088287 0.95 CYSLTR2 (0.53) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL6088437 0.90 CYSLTR1 (0.54) CYSLTR1GPBAR1CYSLTR2
SCHEMBL14021575 0.88 CYSLTR1 (0.65) CYSLTR1GPBAR1CYSLTR2MAPK1TP53
SCHEMBL6092416 0.87 CYSLTR1 (0.58) CYSLTR1GPBAR1CYSLTR2MAPK1TP53
SCHEMBL6584092 0.87 CYSLTR1 (0.58) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6090022 0.85 CYSLTR1 (0.53) CYSLTR1GPBAR1CYSLTR2MAPK1TP53
SCHEMBL6583639 0.85 CYSLTR1 (0.54) CYSLTR1GPBAR1CYSLTR2MAPK1TP53
SCHEMBL6089710 0.84 GPBAR1 (0.50) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL6088547 0.83 CYSLTR1 (0.66) CYSLTR1GPBAR1CYSLTR2MAPK1TP53
SCHEMBL6584120 0.82 CYSLTR2 (0.43) CYSLTR1GPBAR1CYSLTR2MEN1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7005440-B1 Therapeutic uses of tri-aryl acid derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2006-02-28 US disclosed
EP-1267874-A2 THERAPEUTIC USES OF PPAR MEDIATORS Aventis Pharma Deutschland GmbH (DE) 2003-01-02 EP disclosed
EP-1030665-A4 THERAPEUTIC USES OF QUINOLINE DERIVATIVES AVENTIS PHARM PROD INC (US) 2002-11-27 EP disclosed
US-6376512-B1 FOR TREATING PHYSIOLOGICAL CONDITION IN PATIENT WHEREIN SAID CONDITION IS ASSOCIATED WITH A PHYSIOLOGICALLY DETRIMENTAL LEVELS OF INSULIN, GLUCOSE, FREE FATTY ACIDS, OR TRIGLYCERIDES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-23 US disclosed
EP-1177176-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 EP disclosed
WO-2001066098-A2 THERAPEUTIC USES OF PPAR MEDIATORS AVENTIS PHARMA DEUTSCHLAND GMBH 2001-09-13 WO disclosed
WO-2000064876-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 WO disclosed
EP-1030665-A1 THERAPEUTIC USES OF QUINOLINE DERIVATIVES Aventis Pharmaceuticals Products Inc. (US) 2000-08-30 EP disclosed
WO-1999020275-A1 THERAPEUTIC USES OF QUINOLINE DERIVATIVES AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-04-29 WO disclosed
EP-0315399-B1 Quinoline derivatives, their use in the treatment of hypersensitive ailments and a pharmaceutical composition containing the same RHONE POULENC RORER INT (US) 1996-01-10 EP disclosed
US-5059610-A QUINOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-10-22 US disclosed
WO-1989004305-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-05-18 WO disclosed